Methyl 3-carbamothioylsulfanylpropanoate
TL;DR: Methyl 3-carbamothioylsulfanylpropanoate (CAS 76441-19-5) is a chemical compound with molecular formula C5H9NO2S2 and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-carbamothioylsulfanylpropanoate
Also Known As: methyl 3-carbamothioylsulfanylpropanoate, methyl 3-(carbamothioylsulfanyl)propanoate, S-(2'-methoxycarbonylethyl) dithiocarbamate, RefChem:354919
| Molecular Formula | C5H9NO2S2 |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 0.5263 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 179.00748 |
| Heavy Atoms | 10 |
| Complexity | 137.60963 |
Chemical Identifiers
| CAS Number | 76441-19-5 |
|---|---|
| SMILES | COC(=O)CCSC(=S)N |
Product Overview
Methyl 3-carbamothioylsulfanylpropanoate (CAS 76441-19-5), with molecular formula C5H9NO2S2 and molecular weight 179.01 g/mol. IUPAC: methyl 3-carbamothioylsulfanylpropanoate.
Chemical Property Profile of Methyl 3-carbamothioylsulfanylpropanoate
Property Insights of Methyl 3-carbamothioylsulfanylpropanoate
The XLogP value of 0.5263 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-carbamothioylsulfanylpropanoate. With a topological polar surface area (TPSA) of 52.32 Ų, Methyl 3-carbamothioylsulfanylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-carbamothioylsulfanylpropanoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 3-carbamothioylsulfanylpropanoate?
The CAS number of Methyl 3-carbamothioylsulfanylpropanoate is 76441-19-5.
What is the molecular formula of Methyl 3-carbamothioylsulfanylpropanoate?
The molecular formula of Methyl 3-carbamothioylsulfanylpropanoate is C5H9NO2S2.
What is the molecular weight of Methyl 3-carbamothioylsulfanylpropanoate?
The molecular weight of Methyl 3-carbamothioylsulfanylpropanoate is 179.01 g/mol.
Where can I buy Methyl 3-carbamothioylsulfanylpropanoate?
You can request a quote for Methyl 3-carbamothioylsulfanylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-carbamothioylsulfanylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-carbamothioylsulfanylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.